4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide

C16H25N3 — CID 114483636

IUPAC4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(C)C(C)C2)c(C)c1
InChIInChI=1S/C16H25N3/c1-11-6-7-19(9-13(11)3)10-15-5-4-14(16(17)18)8-12(15)2/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H3,17,18)
InChIKeyRVGISVGNDZLFSN-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.76
Rot. Bonds3

About 4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide

4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483636) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
PubChem CID114483636
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(C)C(C)C2)c(C)c1
InChIInChI=1S/C16H25N3/c1-11-6-7-19(9-13(11)3)10-15-5-4-14(16(17)18)8-12(15)2/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H3,17,18)
InChIKeyRVGISVGNDZLFSN-UHFFFAOYSA-N
XLogP2.76
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-methylbenzenecarboximidamide
CID 114483448
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483551
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 103534175
3-chloro-4-[(3,4-dimethylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 102667964
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-3-fluorobenzenecarboximidamide
CID 79188251
3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 55130589
3-chloro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 102667905
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide
CID 114483486
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483459
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483527
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483620
4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483641

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide (CID 114483636) is 4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCC(C)C(C)C2)c(C)c1.
What is the InChIKey of 4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
The InChIKey is RVGISVGNDZLFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11-6-7-19(9-13(11)3)10-15-5-4-14(16(17)18)8-12(15)2/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H3,17,18).
What are the key properties of 4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide has a molecular weight of 259.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).